3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+))

C195H143F22N37Pt8 — CID 158289918

IUPAC3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+))
SMILESCC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)c1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]c(C(F)(F)F)c(C(F)(F)F)c2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C#N)c2C#N)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc3ccccc32)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]ccc2)n1.CN(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)c1.Cc1[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)c(C)c1C.[C-]#[N+]c1[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)cc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C26H18F2N4.C26H24F2N4.C25H22F2N4.C24H14F8N4.2C24H14F2N6.C24H21F2N5.C22H16F2N4.8Pt/c1-26(2,21-10-5-8-19(29-21)18-13-14-23(27)31-25(18)28)22-11-6-12-24(30-22)32-16-15-17-7-3-4-9-20(17)32;1-25(2,3)17-14-15-32(16-17)23-11-7-10-21(30-23)26(4,5)20-9-6-8-19(29-20)18-12-13-22(27)31-24(18)28;1-15-14-31(17(3)16(15)2)23-11-7-10-21(29-23)25(4,5)20-9-6-8-19(28-20)18-12-13-22(26)30-24(18)27;1-22(2,17-6-3-5-16(33-17)13-9-10-19(25)35-21(13)26)18-7-4-8-20(34-18)36-11-14(23(27,28)29)15(12-36)24(30,31)32;1-24(2,19-7-4-6-17(29-19)16-10-11-21(25)31-23(16)26)20-8-5-9-22(30-20)32-13-15(12-27)18(14-32)28-3;1-24(2,19-6-3-5-17(29-19)16-9-10-21(25)31-23(16)26)20-7-4-8-22(30-20)32-12-11-15(13-27)18(32)14-28;1-24(2,19-8-5-7-18(27-19)17-11-12-21(25)29-23(17)26)20-9-6-10-22(28-20)31-14-13-16(15-31)30(3)4;1-22(2,18-9-6-10-20(26-18)28-13-3-4-14-28)17-8-5-7-16(25-17)15-11-12-19(23)27-21(15)24;;;;;;;;/h3-12,14-15H,1-2H3;6-11,13-14,16H,1-5H3;6-11,13H,1-5H3;3-8,10-11H,1-2H3;4-9,11,13H,1-2H3;3-8,10-11H,1-2H3;5-10,12-13,15H,1-4H3;3-10,12-13H,1-2H3;;;;;;;;/q8*-2;8*+2
InChIKeyYCPVWCBLLNABLJ-UHFFFAOYSA-N
MW4983.13 g/mol
LogP41.90
Rot. Bonds33

About 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+))

3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+)) (PubChem CID 158289918) has the molecular formula C195H143F22N37Pt8 and a molecular weight of 4983.13 g/mol. Its IUPAC name is 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+)).

Molecular Properties

Compound Name3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+))
PubChem CID158289918
Molecular FormulaC195H143F22N37Pt8
Molecular Weight4983.13 g/mol
Exact Mass4979.92
IUPAC Name3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+))
SMILESCC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)c1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]c(C(F)(F)F)c(C(F)(F)F)c2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C#N)c2C#N)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc3ccccc32)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]ccc2)n1.CN(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)c1.Cc1[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)c(C)c1C.[C-]#[N+]c1[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)cc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C26H18F2N4.C26H24F2N4.C25H22F2N4.C24H14F8N4.2C24H14F2N6.C24H21F2N5.C22H16F2N4.8Pt/c1-26(2,21-10-5-8-19(29-21)18-13-14-23(27)31-25(18)28)22-11-6-12-24(30-22)32-16-15-17-7-3-4-9-20(17)32;1-25(2,3)17-14-15-32(16-17)23-11-7-10-21(30-23)26(4,5)20-9-6-8-19(29-20)18-12-13-22(27)31-24(18)28;1-15-14-31(17(3)16(15)2)23-11-7-10-21(29-23)25(4,5)20-9-6-8-19(28-20)18-12-13-22(26)30-24(18)27;1-22(2,17-6-3-5-16(33-17)13-9-10-19(25)35-21(13)26)18-7-4-8-20(34-18)36-11-14(23(27,28)29)15(12-36)24(30,31)32;1-24(2,19-7-4-6-17(29-19)16-10-11-21(25)31-23(16)26)20-8-5-9-22(30-20)32-13-15(12-27)18(14-32)28-3;1-24(2,19-6-3-5-17(29-19)16-9-10-21(25)31-23(16)26)20-7-4-8-22(30-20)32-12-11-15(13-27)18(32)14-28;1-24(2,19-8-5-7-18(27-19)17-11-12-21(25)29-23(17)26)20-9-6-10-22(28-20)31-14-13-16(15-31)30(3)4;1-22(2,18-9-6-10-20(26-18)28-13-3-4-14-28)17-8-5-7-16(25-17)15-11-12-19(23)27-21(15)24;;;;;;;;/h3-12,14-15H,1-2H3;6-11,13-14,16H,1-5H3;6-11,13H,1-5H3;3-8,10-11H,1-2H3;4-9,11,13H,1-2H3;3-8,10-11H,1-2H3;5-10,12-13,15H,1-4H3;3-10,12-13H,1-2H3;;;;;;;;/q8*-2;8*+2
InChIKeyYCPVWCBLLNABLJ-UHFFFAOYSA-N
XLogP41.90
TPSA427.77 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004983.13
LogP ≤ 541.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+))?
The IUPAC name of 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+)) (CID 158289918) is 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+)).
What is the SMILES notation for 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+))?
The canonical SMILES for 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+)) is CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)c1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]c(C(F)(F)F)c(C(F)(F)F)c2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C#N)c2C#N)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc3ccccc32)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]ccc2)n1.CN(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)c1.Cc1[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)c(C)c1C.[C-]#[N+]c1[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)cc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+))?
The InChIKey is YCPVWCBLLNABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4.C26H24F2N4.C25H22F2N4.C24H14F8N4.2C24H14F2N6.C24H21F2N5.C22H16F2N4.8Pt/c1-26(2,21-10-5-8-19(29-21)18-13-14-23(27)31-25(18)28)22-11-6-12-24(30-22)32-16-15-17-7-3-4-9-20(17)32;1-25(2,3)17-14-15-32(16-17)23-11-7-10-21(30-23)26(4,5)20-9-6-8-19(29-20)18-12-13-22(27)31-24(18)28;1-15-14-31(17(3)16(15)2)23-11-7-10-21(29-23)25(4,5)20-9-6-8-19(28-20)18-12-13-22(26)30-24(18)27;1-22(2,17-6-3-5-16(33-17)13-9-10-19(25)35-21(13)26)18-7-4-8-20(34-18)36-11-14(23(27,28)29)15(12-36)24(30,31)32;1-24(2,19-7-4-6-17(29-19)16-10-11-21(25)31-23(16)26)20-8-5-9-22(30-20)32-13-15(12-27)18(14-32)28-3;1-24(2,19-6-3-5-17(29-19)16-9-10-21(25)31-23(16)26)20-7-4-8-22(30-20)32-12-11-15(13-27)18(32)14-28;1-24(2,19-8-5-7-18(27-19)17-11-12-21(25)29-23(17)26)20-9-6-10-22(28-20)31-14-13-16(15-31)30(3)4;1-22(2,18-9-6-10-20(26-18)28-13-3-4-14-28)17-8-5-7-16(25-17)15-11-12-19(23)27-21(15)24;;;;;;;;/h3-12,14-15H,1-2H3;6-11,13-14,16H,1-5H3;6-11,13H,1-5H3;3-8,10-11H,1-2H3;4-9,11,13H,1-2H3;3-8,10-11H,1-2H3;5-10,12-13,15H,1-4H3;3-10,12-13H,1-2H3;;;;;;;;/q8*-2;8*+2.
What are the key properties of 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+))?
3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+)) has a molecular weight of 4983.13 g/mol, XLogP of 41.90, 33 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[6-[3,4-bis(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-N,N-dimethyl-2H-pyrrol-2-id-4-amine;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-indol-2-ide;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3-isocyano-2H-pyrrol-2-ide-4-carbonitrile;1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrrol-2-ide-4,5-dicarbonitrile;2,6-difluoro-3-[6-[2-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(3,4,5-trimethyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;octakis(platinum(2+)) is sourced from PubChem (CID 158289918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).